Methyl 2-amino-5-methylthiophene-3-carboxylate - CAS 19369-53-0
Catalog: |
BB015011 |
Product Name: |
Methyl 2-amino-5-methylthiophene-3-carboxylate |
CAS: |
19369-53-0 |
Synonyms: |
methyl 2-amino-5-methylthiophene-3-carboxylate |
IUPAC Name: | methyl 2-amino-5-methylthiophene-3-carboxylate |
Description: | Methyl 2-amino-5-methylthiophene-3-carboxylate (CAS# 19369-53-0) is used as a starting reagent in the synthesis of Thieno[2,3-b]Pyridinones and 4-Hydroxy-6-oxo-6,7-dihydro-thieno[2,3-b]pyridine derivatives, compounds that act as cytoprotectants and inhibitors of the N-Methyl-D-aspartate (NMDA) receptor. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CC1=CC(=C(S1)N)C(=O)OC |
InChI: | InChI=1S/C7H9NO2S/c1-4-3-5(6(8)11-4)7(9)10-2/h3H,8H2,1-2H3 |
InChI Key: | GHPDMFBHITXJAZ-UHFFFAOYSA-N |
Boiling Point: | 278.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.264 g/cm3 |
MDL: | MFCD01922101 |
LogP: | 2.00650 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111763218-A | Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof | 20200714 |
CN-111763218-B | Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof | 20200714 |
WO-2020249664-A1 | Sulfonylurea derivatives and uses thereof | 20190612 |
WO-2019202346-A2 | Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms | 20180418 |
AU-2019256801-A1 | Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms | 20180418 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.03539970 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.03539970 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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